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	hartrees
Energy at 0K	-189.269089
Energy at 298.15K	-189.271693
HF Energy	-188.619102
Nuclear repulsion energy	71.034859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3362	3172	2.88
2	A'	3181	3001	16.67
3	A'	1482	1398	5.10
4	A'	1303	1230	10.58
5	A'	1214	1146	313.79
6	A'	1077	1016	689.59
7	A'	558	527	11.92
8	A"	825	778	35.28
9	A"	690	651	22.64

Atom	x (Å)	y (Å)
O1	0.000	0.445
C2	1.061	-0.273
H3	0.951	-1.348
H4	1.973	0.296
O5	-1.161	-0.108

	O1	C2	H3	H4	O5
O1		1.2807	2.0292	1.9790	1.2857
C2	1.2807		1.0804	1.0759	2.2276
H3	2.0292	1.0804		1.9365	2.4488
H4	1.9790	1.0759	1.9365		3.1602
O5	1.2857	2.2276	2.4488	3.1602

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.256		O1	C2	H4	113.943
C2	O1	O5	120.454		H3	C2	H4	127.800

All results from a given calculation for H₂COO (Dioxymethyl radical)

using model chemistry: MP2/6-311+G(3df,2p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for H2COO (Dioxymethyl radical)

using model chemistry: MP2/6-311+G(3df,2p)

States and conformations

All results from a given calculation for H₂COO (Dioxymethyl radical)